SCHEMBL4692974

SCHEMBL4692974

CCCCCc1cc(C)nn2c(-c3cc4cc(CF)ccc4[nH]3)c(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.32
CRHR1 P34998 2/20 0.31
FFAR1 O14842 4/20 0.31
TLR8 Q9NR97 3/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4690131 0.90 PTGDR2 (0.32) PPARGFFAR1TLR8PTGDR2
SCHEMBL4787114 0.75 TLR8 (0.38) CRHR1TLR8
SCHEMBL4693619 0.67 CRHR1 (0.67) CRHR1PTGDR2
SCHEMBL4693477 0.67 CRHR1 (0.67) CRHR1PTGDR2
SCHEMBL4690722 0.66 CRHR1 (0.39) CRHR1
SCHEMBL4694546 0.66 CRHR1 (0.39) CRHR1TLR8
SCHEMBL4690582 0.65 CRHR1 (0.53) CRHR1
SCHEMBL4693232 0.65 ATP4A (0.35) TLR8
SCHEMBL3935197 0.65 SMPD3 (0.35) CRHR1
SCHEMBL4694389 0.65 CYP2A6 (0.36) CRHR1TLR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed